==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-APR-08 3CYJ . COMPND 2 MOLECULE: MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME-LI . SOURCE 2 ORGANISM_SCIENTIFIC: RUBROBACTER XYLANOPHILUS DSM 9941; . AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,F.ZHANG,J.BRAVO,D.SMITH,S.WAS . 1436 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1049 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 148 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 143 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 60 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 161 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 467 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 7 4 0 9 5 4 8 4 4 4 1 4 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 8 16 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 8 0 0 0 0 0 4 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 0 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A P 0 0 85 0, 0.0 69,-2.1 0, 0.0 70,-0.4 0.000 360.0 360.0 360.0 135.5 46.3 62.3 5.7 2 5 A R B -A 69 0A 143 67,-0.3 37,-0.8 68,-0.2 2,-0.6 -0.876 360.0 -99.8-127.8 155.0 44.7 64.6 8.2 3 6 A V E +B 38 0B 2 65,-2.5 64,-3.7 62,-0.3 35,-0.3 -0.685 41.5 177.0 -71.5 118.3 41.5 65.0 10.1 4 7 A E E - 0 0 73 33,-3.0 2,-0.3 -2,-0.6 34,-0.2 0.844 56.2 -3.1 -93.6 -36.2 39.6 67.5 8.0 5 8 A R E -B 37 0B 115 32,-1.7 32,-2.8 60,-0.1 2,-0.4 -0.991 50.0-148.4-163.9 137.5 36.3 67.8 9.8 6 9 A L E -B 36 0B 16 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -0.960 14.6-164.1-111.1 133.4 34.2 66.4 12.7 7 10 A E E -B 35 0B 72 28,-3.0 28,-2.7 -2,-0.4 2,-0.4 -0.970 5.3-164.7-115.5 134.8 30.4 66.2 12.4 8 11 A V E +B 34 0B 27 -2,-0.4 2,-0.3 26,-0.2 26,-0.2 -0.934 16.7 155.9-119.8 140.1 28.3 65.7 15.5 9 12 A S E -B 33 0B 44 24,-2.0 24,-3.6 -2,-0.4 2,-0.3 -0.938 22.4-145.7-154.2 165.8 24.6 64.6 15.7 10 13 A A E -B 32 0B 18 -2,-0.3 349,-2.2 22,-0.3 2,-0.4 -0.979 5.8-164.0-142.8 150.7 22.4 62.9 18.2 11 14 A Y E -BC 31 358B 21 20,-2.3 20,-2.8 -2,-0.3 2,-0.5 -0.998 6.0-156.0-139.7 139.4 19.5 60.5 18.1 12 15 A T E -B 30 0B 48 345,-2.4 18,-0.2 -2,-0.4 -2,-0.0 -0.979 13.0-174.0-118.7 129.1 16.9 59.6 20.7 13 16 A V E -B 29 0B 2 16,-2.7 16,-2.1 -2,-0.5 307,-0.1 -0.979 23.8-123.5-127.6 120.6 15.1 56.2 20.6 14 17 A P E -B 28 0B 75 0, 0.0 14,-0.3 0, 0.0 2,-0.1 -0.310 31.1-114.6 -54.1 142.5 12.3 55.0 22.8 15 18 A T E - 0 0 17 12,-1.2 301,-0.0 1,-0.1 4,-0.0 -0.387 25.2-116.7 -66.2 156.9 12.9 51.8 24.6 16 19 A D E S+ 0 0 76 -2,-0.1 -1,-0.1 1,-0.1 11,-0.0 0.489 97.3 9.8 -79.7 -0.6 10.6 49.0 23.5 17 20 A Y E S- 0 0 61 121,-0.0 2,-0.2 0, 0.0 -2,-0.1 -0.951 101.4 -78.8-162.0 157.7 9.0 48.8 27.0 18 21 A P E - 0 0 83 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.533 58.0-156.9 -63.4 135.6 9.4 51.0 30.1 19 22 A E E +B 26 0B 4 7,-2.2 7,-2.6 -2,-0.2 2,-0.3 -0.870 21.2 160.4-122.8 148.9 12.7 50.1 31.7 20 23 A S E -B 25 0B 4 -2,-0.3 116,-1.7 5,-0.2 117,-0.4 -0.981 13.7-168.8-154.7 166.4 14.2 50.3 35.2 21 24 A D E > -B 24 0B 2 3,-2.4 3,-0.6 -2,-0.3 169,-0.1 -0.736 56.3 -64.9-141.6-169.2 16.9 48.9 37.4 22 25 A G T 3 S+ 0 0 13 140,-0.4 169,-0.1 167,-0.3 168,-0.1 0.801 130.8 16.9 -56.2 -33.2 17.7 49.1 41.1 23 26 A T T 3 S+ 0 0 58 1,-0.1 2,-0.3 419,-0.0 -1,-0.2 0.337 120.5 44.0-126.5 11.6 18.4 52.9 41.1 24 27 A L E < -B 21 0B 27 -3,-0.6 -3,-2.4 421,-0.1 2,-0.4 -0.999 49.0-155.4-158.5 153.0 16.9 54.3 37.8 25 28 A Q E +B 20 0B 140 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.978 24.1 161.2-127.4 139.8 13.9 54.4 35.4 26 29 A W E -B 19 0B 41 -7,-2.6 -7,-2.2 -2,-0.4 3,-0.1 -0.982 29.2-166.9-154.3 162.5 14.1 55.4 31.7 27 30 A D E S+ 0 0 112 -2,-0.3 -12,-1.2 -9,-0.2 2,-0.3 0.088 73.1 31.2-142.7 22.7 12.1 55.0 28.5 28 31 A S E -B 14 0B 43 -14,-0.3 2,-0.4 -9,-0.1 -1,-0.2 -0.981 61.7-132.8-169.3 168.7 14.6 56.0 25.9 29 32 A T E -B 13 0B 13 -16,-2.1 -16,-2.7 -2,-0.3 2,-0.5 -0.993 10.5-151.6-132.4 137.1 18.2 56.2 24.8 30 33 A T E -B 12 0B 27 -2,-0.4 19,-2.0 -18,-0.2 2,-0.5 -0.948 9.5-167.1-112.1 120.5 20.3 59.0 23.3 31 34 A M E -BD 11 48B 2 -20,-2.8 -20,-2.3 -2,-0.5 2,-0.5 -0.894 7.6-154.9 -98.2 130.4 23.2 58.2 21.1 32 35 A I E -BD 10 47B 0 15,-2.9 15,-1.9 -2,-0.5 2,-0.5 -0.930 16.5-158.2-105.1 130.4 25.7 61.0 20.2 33 36 A L E -BD 9 46B 0 -24,-3.6 -24,-2.0 -2,-0.5 2,-0.4 -0.913 9.9-166.9-119.7 127.6 27.4 60.3 16.9 34 37 A V E -BD 8 45B 0 11,-3.3 11,-2.1 -2,-0.5 2,-0.5 -0.931 2.6-164.3-110.3 134.4 30.7 61.7 15.7 35 38 A E E -BD 7 44B 22 -28,-2.7 -28,-3.0 -2,-0.4 2,-0.6 -0.987 4.5-159.5-119.0 126.7 31.9 61.5 12.1 36 39 A A E -BD 6 43B 0 7,-2.8 7,-3.4 -2,-0.5 2,-0.5 -0.920 5.7-163.8-106.7 122.7 35.5 62.1 11.3 37 40 A H E +BD 5 42B 34 -32,-2.8 -33,-3.0 -2,-0.6 -32,-1.7 -0.896 28.1 130.1-107.6 127.4 36.3 63.0 7.7 38 41 A G E > +BD 3 41B 6 3,-2.5 3,-2.8 -2,-0.5 -35,-0.2 -0.940 56.7 11.8-173.6 155.8 39.9 62.8 6.5 39 42 A G T 3 S- 0 0 48 -37,-0.8 3,-0.1 1,-0.3 -36,-0.1 0.669 126.2 -56.5 46.5 28.7 42.2 61.5 3.8 40 43 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.338 122.0 89.2 86.8 -5.0 39.2 60.6 1.6 41 44 A R E < -D 38 0B 137 -3,-2.8 -3,-2.5 66,-0.0 2,-0.4 -0.631 64.0-136.9-114.7 176.9 37.6 58.4 4.2 42 45 A K E -D 37 0B 88 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.963 11.8-165.5-139.6 122.6 35.1 58.7 7.1 43 46 A G E -D 36 0B 0 -7,-3.4 -7,-2.8 -2,-0.4 2,-0.4 -0.754 7.2-156.1-100.0 149.3 35.2 57.2 10.6 44 47 A L E +D 35 0B 2 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.978 16.0 166.5-126.9 148.1 32.4 57.0 13.0 45 48 A G E -D 34 0B 0 -11,-2.1 -11,-3.3 -2,-0.4 2,-0.3 -0.948 10.8-173.9-141.1 157.2 32.3 56.7 16.8 46 49 A Y E -D 33 0B 0 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.946 11.6-162.1-146.2 169.7 29.4 57.2 19.3 47 50 A T E -D 32 0B 0 -15,-1.9 -15,-2.9 -2,-0.3 2,-0.5 -0.923 22.0-125.8-142.7 167.2 28.5 57.3 22.9 48 51 A Y E +D 31 0B 15 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.982 63.8 82.6-113.9 129.9 25.2 57.0 24.9 49 52 A G S S- 0 0 17 -19,-2.0 2,-0.2 -2,-0.5 -19,-0.2 -0.946 78.1 -16.8 171.1-155.2 24.4 59.9 27.2 50 53 A D > - 0 0 12 397,-0.4 3,-2.6 -2,-0.3 4,-0.4 -0.511 54.8-120.9 -80.6 148.3 23.0 63.4 27.4 51 54 A V T >> S+ 0 0 19 1,-0.3 3,-1.4 2,-0.2 4,-0.9 0.782 109.9 76.9 -53.2 -28.5 22.5 65.5 24.2 52 55 A S H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.766 77.6 73.8 -58.3 -20.5 24.8 68.0 25.9 53 56 A V H <> S+ 0 0 0 -3,-2.6 4,-2.2 1,-0.2 -1,-0.3 0.912 92.8 54.2 -55.5 -42.6 27.7 65.6 25.0 54 57 A G H <> S+ 0 0 6 -3,-1.4 4,-2.3 -4,-0.4 -1,-0.2 0.907 106.3 49.9 -59.3 -44.0 27.3 66.8 21.3 55 58 A R H X S+ 0 0 110 -4,-0.9 4,-3.1 2,-0.2 5,-0.2 0.901 107.8 54.5 -61.0 -41.0 27.7 70.4 22.4 56 59 A F H X>S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.8 0.918 108.5 49.3 -57.5 -47.3 30.9 69.5 24.4 57 60 A V H X>S+ 0 0 0 -4,-2.2 5,-2.7 3,-0.2 4,-1.3 0.953 114.3 45.2 -54.6 -50.2 32.4 67.9 21.2 58 61 A E H <5S+ 0 0 102 -4,-2.3 5,-0.4 1,-0.2 -2,-0.2 0.951 119.7 40.8 -58.9 -47.4 31.6 70.9 19.1 59 62 A S H <5S+ 0 0 50 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.869 133.7 10.9 -75.5 -41.8 32.9 73.4 21.7 60 63 A K H <5S+ 0 0 71 -4,-2.8 4,-0.2 -5,-0.2 -3,-0.2 0.735 127.3 38.7-112.4 -29.8 36.0 71.7 23.0 61 64 A L T >X< S+ 0 0 0 -4,-2.3 3,-2.0 2,-0.1 -62,-0.3 0.889 94.3 89.9 -73.8 -42.4 40.9 66.9 16.3 66 69 A E T 3< S+ 0 0 79 -4,-3.0 -62,-0.2 1,-0.3 3,-0.1 -0.286 95.0 19.2 -58.8 127.5 40.7 69.0 13.1 67 70 A G T 3 S+ 0 0 47 -64,-3.7 -1,-0.3 1,-0.3 -63,-0.1 0.388 99.0 130.4 97.9 -6.1 44.0 69.4 11.4 68 71 A S S < S- 0 0 7 -3,-2.0 -65,-2.5 -65,-0.2 2,-0.5 -0.359 71.9 -85.9 -86.0 158.9 45.5 66.4 13.2 69 72 A D B > -A 2 0A 50 -67,-0.2 3,-1.6 1,-0.2 -67,-0.3 -0.497 33.3-149.3 -62.6 116.5 47.4 63.4 11.8 70 73 A A T 3 S+ 0 0 4 -69,-2.1 -68,-0.2 -2,-0.5 -1,-0.2 0.487 91.7 60.3 -66.4 -5.4 44.7 60.9 10.8 71 74 A L T 3 S+ 0 0 25 -70,-0.4 -1,-0.3 1,-0.2 771,-0.2 0.439 98.1 57.4-101.9 -1.3 47.1 58.0 11.6 72 75 A S X> + 0 0 9 -3,-1.6 4,-1.0 1,-0.1 3,-0.8 -0.488 51.4 164.6-132.3 67.1 47.6 58.7 15.3 73 76 A P H >> S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 3,-0.8 0.883 76.8 58.7 -53.0 -39.5 44.4 58.8 17.3 74 77 A P H 3> S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 769,-0.2 0.861 98.9 57.8 -63.9 -33.5 46.2 58.5 20.6 75 78 A A H <> S+ 0 0 27 767,-1.1 4,-1.4 -3,-0.8 768,-0.1 0.848 110.1 45.2 -60.2 -33.5 48.2 61.7 20.0 76 79 A V H < S+ 0 0 55 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.918 109.6 53.7 -65.6 -43.2 44.9 68.2 28.3 83 86 A A H 3< S+ 0 0 34 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.743 105.4 52.8 -66.2 -27.3 42.6 70.8 26.7 84 87 A I T 3X + 0 0 0 -4,-1.4 4,-1.9 -3,-0.2 3,-0.4 0.273 67.9 115.8 -99.3 16.9 39.6 70.0 28.8 85 88 A R T <4 S+ 0 0 15 -3,-1.2 4,-0.4 1,-0.3 3,-0.2 0.891 89.2 32.4 -50.2 -50.6 41.1 70.3 32.3 86 89 A N T 4 S+ 0 0 53 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.676 113.8 60.4 -77.7 -23.3 38.8 73.3 33.2 87 90 A A T 4 S- 0 0 6 -3,-0.4 323,-0.5 322,-0.2 -2,-0.2 0.698 123.5 -92.4 -82.4 -17.2 35.9 72.1 31.1 88 91 A G < - 0 0 0 -4,-1.9 364,-0.3 -3,-0.2 5,-0.3 0.587 31.5-151.7 104.4 105.6 35.6 69.0 33.2 89 92 A R S S+ 0 0 76 -4,-0.4 8,-0.2 4,-0.1 -4,-0.1 0.877 72.0 64.5 -74.9 -43.0 37.3 65.8 32.2 90 93 A P S > S+ 0 0 16 0, 0.0 3,-1.0 0, 0.0 362,-0.6 -0.326 98.6 5.1 -83.5 168.3 35.0 63.1 33.8 91 94 A G B >> S+E 451 0C 0 1,-0.3 4,-2.5 2,-0.2 3,-0.6 -0.452 133.4 14.2 69.6-126.3 31.4 62.3 32.9 92 95 A V H 3> S+ 0 0 0 358,-0.6 4,-2.0 356,-0.3 -1,-0.3 0.883 131.7 51.5 -48.5 -47.4 30.0 64.2 29.9 93 96 A G H <> S+ 0 0 0 -3,-1.0 4,-2.6 -5,-0.3 -1,-0.3 0.833 111.0 47.4 -59.6 -36.8 33.5 65.3 28.9 94 97 A A H <> S+ 0 0 7 -3,-0.6 4,-2.3 2,-0.2 176,-0.3 0.859 109.2 53.0 -75.2 -38.5 34.8 61.7 29.0 95 98 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.896 111.4 48.0 -60.2 -40.0 31.8 60.5 27.0 96 99 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.941 110.5 49.0 -68.2 -52.6 32.7 63.1 24.4 97 100 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.914 111.5 52.7 -50.5 -42.6 36.4 62.2 24.2 98 101 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 174,-0.3 0.936 108.2 47.6 -61.5 -50.5 35.4 58.6 23.9 99 102 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 168,-0.3 -1,-0.2 0.919 115.2 46.7 -57.4 -47.1 33.0 59.1 20.9 100 103 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.916 111.3 51.2 -63.3 -42.8 35.7 61.2 19.2 101 104 A D H X S+ 0 0 0 -4,-2.9 4,-1.7 -5,-0.2 -1,-0.2 0.851 109.5 49.8 -61.6 -38.7 38.4 58.7 19.8 102 105 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.888 110.8 50.5 -69.6 -38.5 36.4 55.8 18.4 103 106 A A H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.2 -2,-0.2 0.909 109.9 50.1 -63.8 -45.4 35.7 57.9 15.3 104 107 A L H X S+ 0 0 6 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.832 113.0 45.6 -61.0 -35.5 39.4 58.6 14.9 105 108 A W H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.896 111.7 51.8 -75.7 -43.5 40.3 54.9 15.2 106 109 A D H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.955 112.1 48.2 -51.3 -52.2 37.5 54.0 12.8 107 110 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.926 111.0 49.1 -55.4 -49.2 38.9 56.5 10.5 108 111 A K H X S+ 0 0 2 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.945 111.5 49.3 -57.2 -45.0 42.5 55.2 10.9 109 112 A A H <>S+ 0 0 0 -4,-2.9 5,-3.1 1,-0.2 3,-0.3 0.925 111.9 48.6 -61.9 -47.8 41.3 51.6 10.3 110 113 A R H ><5S+ 0 0 46 -4,-2.5 3,-1.3 3,-0.2 -1,-0.2 0.870 107.7 54.1 -54.4 -45.1 39.4 52.7 7.1 111 114 A L H 3<5S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.775 112.6 45.6 -61.8 -27.7 42.4 54.6 5.7 112 115 A L T 3<5S- 0 0 47 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.426 112.8-123.1 -93.6 -2.4 44.4 51.4 6.2 113 116 A G T < 5 + 0 0 47 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.774 68.3 128.3 65.3 31.3 41.7 49.4 4.6 114 117 A L < - 0 0 22 -5,-3.1 230,-3.4 -6,-0.2 -1,-0.2 -0.870 68.6-107.1-119.7 146.0 41.4 47.1 7.7 115 118 A P B >> -f 344 0D 9 0, 0.0 4,-1.1 0, 0.0 3,-0.7 -0.413 45.2-113.0 -52.2 145.7 38.6 45.9 10.0 116 119 A L H >> S+ 0 0 0 228,-2.5 3,-1.2 1,-0.3 4,-1.2 0.924 117.1 59.0 -57.2 -42.8 39.1 47.9 13.3 117 120 A A H 34 S+ 0 0 1 227,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.861 105.9 50.2 -53.0 -36.7 40.0 44.7 15.2 118 121 A D H <4 S+ 0 0 19 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.711 104.7 56.4 -76.5 -21.8 42.9 44.3 12.7 119 122 A A H << S+ 0 0 6 -3,-1.2 -1,-0.2 -4,-1.1 -2,-0.2 0.638 104.7 63.0 -82.4 -15.4 44.2 47.8 13.1 120 123 A L S < S- 0 0 2 -4,-1.2 2,-0.2 -3,-0.4 720,-0.0 -0.643 109.5 -79.9 -99.8 164.5 44.6 47.3 16.9 121 124 A P - 0 0 6 0, 0.0 2,-0.6 0, 0.0 671,-0.1 -0.472 59.5-146.7 -58.6 126.5 46.9 44.8 18.7 122 125 A R + 0 0 24 669,-0.2 673,-1.2 -2,-0.2 182,-0.2 -0.900 41.7 154.8-119.5 123.6 44.8 41.7 18.4 123 126 A F + 0 0 19 180,-2.8 2,-0.4 -2,-0.6 181,-0.2 0.688 68.2 50.7-102.9 -33.5 44.6 38.8 20.8 124 127 A H - 0 0 47 179,-1.7 -1,-0.2 1,-0.1 3,-0.1 -0.920 52.4-160.5-122.9 141.2 41.1 37.4 19.9 125 128 A A S S- 0 0 57 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.904 89.8 -0.0 -79.6 -49.8 39.4 36.4 16.7 126 129 A E S S- 0 0 74 211,-0.2 -1,-0.2 176,-0.1 211,-0.2 -0.872 75.3-132.4-127.0 176.7 36.0 36.6 18.2 127 130 A V E -G 336 0E 0 209,-2.4 209,-2.7 -2,-0.3 2,-0.1 -0.987 17.7-119.4-134.7 135.0 34.7 37.6 21.7 128 131 A P E -G 335 0E 40 0, 0.0 183,-2.0 0, 0.0 2,-0.3 -0.388 31.7-163.8 -75.4 146.6 32.2 36.0 24.0 129 132 A V E -h 311 0F 0 205,-3.0 2,-0.4 181,-0.2 183,-0.2 -0.803 15.7-145.2-120.2 162.1 29.1 37.9 25.0 130 133 A Y E -h 312 0F 0 181,-2.2 183,-3.6 -2,-0.3 2,-0.4 -0.997 27.3-120.3-122.0 143.7 26.4 37.7 27.6 131 134 A G E -hi 313 158F 0 26,-2.2 28,-3.0 -2,-0.4 2,-0.5 -0.639 34.6-163.2 -73.9 129.4 22.8 38.8 26.9 132 135 A S E +hi 314 159F 0 181,-2.4 183,-2.7 -2,-0.4 28,-0.2 -0.954 40.7 82.0-129.6 118.2 21.9 41.7 29.2 133 136 A G + 0 0 0 26,-2.4 28,-0.3 -2,-0.5 10,-0.1 -0.530 18.2 140.5-165.5-120.7 18.4 43.0 30.1 134 137 A G - 0 0 0 26,-0.2 27,-2.1 -2,-0.2 9,-0.1 0.871 43.6-162.3 67.9 39.2 15.9 41.6 32.7 135 138 A F > - 0 0 0 25,-0.2 3,-1.5 1,-0.1 -114,-0.2 -0.104 27.6-118.1 -58.4 151.9 14.8 45.0 33.9 136 139 A T T 3 S+ 0 0 15 -116,-1.7 -115,-0.1 1,-0.3 -1,-0.1 0.671 112.5 62.5 -67.9 -18.7 13.0 45.4 37.2 137 140 A S T 3 S+ 0 0 36 -117,-0.4 -1,-0.3 -119,-0.1 -118,-0.1 0.651 80.7 104.9 -77.1 -19.6 10.0 46.8 35.3 138 141 A Y S < S- 0 0 5 -3,-1.5 -119,-0.0 -118,-0.2 -121,-0.0 -0.445 72.3-128.4 -63.9 129.1 9.5 43.5 33.4 139 142 A P > - 0 0 65 0, 0.0 4,-1.9 0, 0.0 3,-0.5 -0.397 38.1 -96.5 -65.2 163.5 6.6 41.3 34.5 140 143 A L H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.805 121.5 51.2 -51.5 -43.9 7.8 37.7 35.0 141 144 A R H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 110.8 47.7 -61.5 -44.3 6.7 36.3 31.6 142 145 A R H > S+ 0 0 98 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.873 111.5 50.7 -72.9 -34.0 8.5 39.1 29.7 143 146 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.945 112.0 48.3 -62.2 -48.5 11.7 38.5 31.8 144 147 A Q H X S+ 0 0 55 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.883 111.2 50.2 -60.5 -37.5 11.5 34.8 31.0 145 148 A E H X S+ 0 0 151 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.872 111.3 47.5 -73.2 -37.4 11.0 35.3 27.3 146 149 A Q H X S+ 0 0 30 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.969 119.1 37.9 -67.1 -51.9 13.9 37.7 27.0 147 150 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.932 118.8 48.4 -62.8 -46.6 16.4 35.5 29.0 148 151 A G H X S+ 0 0 17 -4,-2.6 4,-3.0 -5,-0.3 5,-0.2 0.916 108.6 56.9 -60.8 -41.3 15.0 32.2 27.5 149 152 A G H X S+ 0 0 39 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.933 108.1 45.4 -56.2 -49.0 15.3 33.8 24.1 150 153 A W H <>S+ 0 0 32 -4,-2.0 5,-2.0 2,-0.2 -1,-0.2 0.865 113.5 49.4 -64.2 -37.0 19.0 34.5 24.5 151 154 A A H ><5S+ 0 0 23 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.931 108.5 52.8 -67.1 -44.9 19.7 31.0 25.9 152 155 A A H 3<5S+ 0 0 94 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.752 102.2 61.0 -57.0 -33.7 17.8 29.4 22.9 153 156 A A T 3<5S- 0 0 29 -4,-1.4 180,-2.7 -5,-0.2 -1,-0.3 0.306 125.2-104.1 -75.2 5.5 20.0 31.5 20.6 154 157 A G T < 5S+ 0 0 36 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.2 0.654 75.9 141.1 81.0 10.8 23.0 29.7 22.1 155 158 A I < - 0 0 1 -5,-2.0 -1,-0.3 178,-0.1 -2,-0.1 -0.824 36.2-163.3 -87.1 108.5 24.2 32.6 24.3 156 159 A P + 0 0 49 0, 0.0 29,-2.4 0, 0.0 2,-0.3 0.237 65.6 57.9 -85.4 15.9 25.3 30.7 27.4 157 160 A R E + j 0 185F 45 27,-0.2 -26,-2.2 -28,-0.2 2,-0.4 -0.987 59.9 179.1-147.6 128.0 25.3 33.7 29.8 158 161 A V E -ij 131 186F 0 27,-2.5 29,-3.1 -2,-0.3 2,-0.4 -0.992 11.7-153.9-133.6 143.8 22.6 36.1 30.7 159 162 A K E +ij 132 187F 0 -28,-3.0 -26,-2.4 -2,-0.4 2,-0.3 -0.934 13.5 178.2-116.1 140.4 22.3 39.1 33.0 160 163 A M E - j 0 188F 0 27,-2.3 29,-2.0 -2,-0.4 2,-0.3 -0.874 29.1-105.3-129.4 162.2 19.2 40.5 34.8 161 164 A K E + j 0 189F 6 -27,-2.1 2,-0.3 -28,-0.3 29,-0.2 -0.680 37.5 168.6 -88.7 144.0 18.4 43.4 37.2 162 165 A V + 0 0 0 27,-2.1 -140,-0.4 -2,-0.3 31,-0.2 -0.927 43.7 60.0-137.2 166.4 17.7 43.0 40.9 163 166 A G + 0 0 7 -2,-0.3 27,-0.1 2,-0.1 4,-0.1 0.312 69.1 98.2 104.9 -12.2 17.3 45.2 43.9 164 167 A R S S+ 0 0 85 1,-0.3 3,-0.1 2,-0.1 -143,-0.0 0.910 106.4 12.8 -74.9 -47.4 14.5 47.6 43.1 165 168 A E S >> S- 0 0 104 1,-0.1 3,-2.5 -29,-0.0 4,-0.9 -0.722 76.6-171.9-124.4 83.3 11.9 45.6 45.1 166 169 A P G >4 S+ 0 0 36 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.785 80.3 62.2 -51.2 -35.7 14.0 43.2 47.1 167 170 A E G 34 S+ 0 0 162 1,-0.2 4,-0.3 2,-0.1 -3,-0.0 0.811 106.8 45.4 -55.2 -34.5 10.9 41.2 48.3 168 171 A K G <> S+ 0 0 62 -3,-2.5 4,-1.6 1,-0.2 3,-0.3 0.691 92.2 83.3 -85.3 -15.9 10.0 40.3 44.7 169 172 A D H S+ 0 0 22 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.942 111.0 39.4 -54.3 -45.4 13.6 35.7 44.9 171 174 A E H > S+ 0 0 105 -3,-0.3 4,-2.6 -4,-0.3 -2,-0.2 0.854 113.1 55.9 -71.4 -28.4 10.8 34.7 42.6 172 175 A R H X S+ 0 0 9 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.926 112.2 42.3 -67.0 -41.0 12.2 36.8 39.8 173 176 A V H X S+ 0 0 0 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.895 113.9 51.7 -71.4 -37.6 15.5 34.9 40.0 174 177 A R H X S+ 0 0 126 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.912 110.7 49.5 -59.7 -42.5 13.7 31.6 40.4 175 178 A A H X S+ 0 0 17 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.844 109.9 50.7 -62.5 -40.2 11.7 32.4 37.3 176 179 A A H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.888 108.8 51.4 -65.6 -41.0 14.8 33.3 35.3 177 180 A R H X S+ 0 0 26 -4,-2.2 4,-2.3 2,-0.2 3,-0.3 0.897 108.4 51.8 -63.3 -37.0 16.5 30.0 36.3 178 181 A E H < S+ 0 0 137 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.930 108.4 52.4 -66.1 -46.3 13.4 28.1 35.1 179 182 A A H < S+ 0 0 30 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.765 119.3 31.3 -56.7 -32.5 13.5 29.8 31.8 180 183 A I H < S- 0 0 14 -4,-1.2 3,-0.3 -3,-0.3 -2,-0.2 0.716 98.6-134.0-109.1 -22.1 17.2 29.1 31.0 181 184 A G >< - 0 0 31 -4,-2.3 3,-1.1 -5,-0.2 -1,-0.1 -0.101 38.1 -63.0 86.7 170.9 18.0 25.8 32.6 182 185 A E T 3 S+ 0 0 164 1,-0.2 -1,-0.2 -4,-0.1 -4,-0.1 0.403 125.1 59.3 -74.7 0.8 21.0 24.6 34.7 183 186 A S T 3 S+ 0 0 112 -3,-0.3 2,-0.5 2,-0.1 -1,-0.2 0.320 84.1 85.9-117.9 7.9 23.6 25.1 32.1 184 187 A V S < S- 0 0 14 -3,-1.1 2,-0.3 -7,-0.1 -27,-0.2 -0.933 81.9-121.7-103.1 130.1 23.2 28.8 31.4 185 188 A E E -j 157 0F 58 -29,-2.4 -27,-2.5 -2,-0.5 2,-0.6 -0.548 23.0-149.0 -68.5 127.5 25.1 31.2 33.7 186 189 A L E -j 158 0F 0 25,-0.4 27,-2.0 -2,-0.3 28,-0.6 -0.910 16.2-174.9-106.7 121.2 22.8 33.6 35.5 187 190 A M E -jk 159 214F 0 -29,-3.1 -27,-2.3 -2,-0.6 2,-0.3 -0.843 7.2-154.5-114.5 142.6 24.3 37.0 36.4 188 191 A V E -jk 160 215F 0 26,-2.7 28,-2.9 -2,-0.3 2,-0.4 -0.900 5.2-161.1-119.4 151.7 22.6 39.8 38.4 189 192 A D E +jk 161 216F 0 -29,-2.0 -27,-2.1 -2,-0.3 -167,-0.3 -0.994 9.4 179.6-130.8 124.8 23.1 43.6 38.5 190 193 A A > - 0 0 0 26,-2.8 3,-1.4 -2,-0.4 27,-0.2 0.533 30.0-142.6-101.9 -11.5 22.0 45.7 41.5 191 194 A N T 3 S- 0 0 9 25,-0.5 26,-0.2 1,-0.3 29,-0.1 0.893 71.6 -54.4 47.0 45.4 23.1 49.1 40.1 192 195 A G T 3 S+ 0 0 23 25,-3.2 28,-0.4 27,-0.3 -1,-0.3 0.660 99.1 138.8 68.9 23.4 24.2 50.1 43.6 193 196 A A < + 0 0 28 -3,-1.4 2,-0.3 24,-0.4 26,-0.1 0.653 49.0 71.1 -74.4 -20.5 20.8 49.4 45.2 194 197 A Y S S- 0 0 11 24,-1.7 26,-0.4 23,-0.3 2,-0.1 -0.680 70.3-128.4-102.9 153.2 22.0 47.8 48.4 195 198 A T > - 0 0 90 -2,-0.3 4,-2.6 24,-0.1 5,-0.2 -0.395 49.0 -93.2 -75.6 171.5 23.7 48.8 51.7 196 199 A R H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.911 124.9 38.1 -57.6 -55.3 26.7 46.7 52.6 197 200 A K H > S+ 0 0 143 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.768 114.6 56.6 -71.8 -26.6 25.0 44.1 54.8 198 201 A Q H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.925 108.8 46.4 -65.0 -48.4 22.0 44.0 52.5 199 202 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.914 109.9 53.2 -62.8 -43.7 24.2 43.1 49.6 200 203 A L H X S+ 0 0 25 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.944 109.6 49.7 -58.6 -43.3 26.0 40.4 51.7 201 204 A Y H X S+ 0 0 121 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.945 113.8 45.1 -57.4 -48.1 22.6 38.9 52.5 202 205 A W H X S+ 0 0 24 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.818 103.3 60.8 -72.5 -35.0 21.6 38.9 48.8 203 206 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.928 114.7 38.1 -53.0 -45.9 24.8 37.5 47.4 204 207 A G H X S+ 0 0 13 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.931 116.9 50.0 -72.2 -47.0 24.2 34.4 49.6 205 208 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.905 112.0 47.1 -55.5 -52.3 20.4 34.3 49.1 206 209 A F H X>S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 6,-0.8 0.902 109.0 55.3 -61.9 -40.7 20.7 34.5 45.3 207 210 A A H X5S+ 0 0 29 -4,-1.6 4,-2.0 -5,-0.3 -2,-0.2 0.958 116.1 37.8 -52.4 -48.3 23.4 31.8 45.2 208 211 A R H <5S+ 0 0 180 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.905 118.3 48.4 -70.0 -45.7 21.0 29.4 47.1 209 212 A E H <5S- 0 0 49 -4,-3.1 -1,-0.2 -5,-0.2 -3,-0.2 0.845 138.2 -4.4 -67.0 -39.3 17.8 30.5 45.3 210 213 A A H <5S- 0 0 7 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.310 90.6-110.1-145.7 10.5 19.0 30.3 41.7 211 214 A G << - 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0 0 0 26,-0.2 27,-2.5 -2,-0.2 -1,-0.1 0.925 43.7-156.0 55.6 54.0 50.1 85.8 39.4 495 138 B F > - 0 0 0 25,-0.2 3,-2.1 1,-0.1 -114,-0.2 -0.204 25.5-118.1 -67.8 152.3 49.9 83.9 36.2 496 139 B T T 3 S+ 0 0 14 -116,-1.5 -115,-0.2 1,-0.3 -1,-0.1 0.683 113.0 64.7 -67.6 -12.8 53.0 82.3 34.6 497 140 B S T 3 S+ 0 0 37 -117,-0.5 -1,-0.3 -119,-0.1 -116,-0.1 0.601 80.9 102.2 -80.4 -14.7 52.3 84.5 31.6 498 141 B Y S < S- 0 0 3 -3,-2.1 -119,-0.0 -118,-0.2 2,-0.0 -0.519 72.0-127.9 -73.1 132.7 53.0 87.7 33.5 499 142 B P > - 0 0 66 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.331 39.3 -97.3 -62.0 161.7 56.3 89.6 33.2 500 143 B L H > S+ 0 0 53 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.878 123.3 54.4 -49.6 -48.6 58.0 90.3 36.5 501 144 B R H > S+ 0 0 181 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.941 110.3 45.0 -55.3 -48.8 56.6 93.8 36.7 502 145 B R H > S+ 0 0 89 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.897 112.6 51.8 -67.3 -41.8 53.0 92.8 36.2 503 146 B L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 5,-0.3 0.939 113.4 44.7 -49.0 -52.5 53.4 89.9 38.8 504 147 B Q H X S+ 0 0 65 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.880 113.3 51.4 -64.5 -41.1 54.8 92.4 41.3 505 148 B E H X S+ 0 0 115 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.930 110.4 46.5 -58.2 -54.2 52.2 94.9 40.5 506 149 B Q H X S+ 0 0 30 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.926 118.6 39.6 -60.9 -46.8 49.2 92.6 41.0 507 150 B L H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.922 116.1 51.2 -73.9 -42.7 50.4 91.0 44.2 508 151 B G H X S+ 0 0 20 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.894 107.1 56.0 -52.7 -45.9 51.7 94.3 45.6 509 152 B G H X S+ 0 0 43 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.948 107.8 46.8 -54.2 -50.6 48.3 95.9 44.8 510 153 B W H <>S+ 0 0 31 -4,-1.9 5,-2.3 1,-0.2 -1,-0.2 0.924 111.5 52.8 -59.2 -45.0 46.4 93.3 46.8 511 154 B A H ><5S+ 0 0 25 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.903 108.8 47.2 -54.1 -48.0 48.9 93.7 49.7 512 155 B A H 3<5S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 103.5 63.6 -68.7 -31.4 48.5 97.5 49.9 513 156 B A T 3<5S- 0 0 31 -4,-2.1 180,-2.4 -5,-0.2 181,-0.4 0.232 127.4-100.2 -71.1 10.3 44.6 97.0 49.8 514 157 B G T < 5S+ 0 0 34 -3,-1.5 -3,-0.2 178,-0.2 -2,-0.2 0.667 81.2 136.3 78.7 15.5 45.1 95.2 53.1 515 158 B I < - 0 0 1 -5,-2.3 -1,-0.2 -6,-0.2 -24,-0.1 -0.844 34.5-169.1 -91.3 101.6 45.0 91.6 51.8 516 159 B P + 0 0 49 0, 0.0 29,-3.6 0, 0.0 2,-0.4 0.168 65.7 61.2 -83.0 17.9 47.9 90.0 53.8 517 160 B R E + y 0 545L 50 27,-0.2 -26,-2.4 -28,-0.1 2,-0.3 -0.983 59.9 174.0-146.2 127.6 47.9 86.7 51.8 518 161 B V E -xy 491 546L 0 27,-2.8 29,-2.6 -2,-0.4 2,-0.4 -0.997 14.1-154.2-138.0 147.4 48.5 86.3 48.0 519 162 B K E -xy 492 547L 0 -28,-2.9 -26,-2.2 -2,-0.3 2,-0.3 -0.942 12.0-179.8-120.3 141.0 48.9 83.3 45.7 520 163 B M E - y 0 548L 0 27,-1.9 29,-1.5 -2,-0.4 2,-0.3 -0.823 29.5-103.8-127.5 168.6 50.8 83.1 42.3 521 164 B K E + y 0 549L 6 -27,-2.5 2,-0.3 -2,-0.3 29,-0.2 -0.705 36.6 175.0 -94.9 147.9 51.4 80.3 39.8 522 165 B V + 0 0 0 27,-2.5 -140,-0.5 -2,-0.3 31,-0.2 -0.888 45.0 56.8-135.6 168.7 54.6 78.2 39.4 523 166 B G + 0 0 7 -2,-0.3 27,-0.1 2,-0.1 4,-0.1 0.319 66.8 103.1 98.9 -5.7 55.8 75.3 37.4 524 167 B R S S+ 0 0 80 1,-0.3 -143,-0.0 2,-0.1 -2,-0.0 0.919 106.1 9.6 -71.7 -43.6 55.2 76.2 33.8 525 168 B E S >> S- 0 0 109 1,-0.1 3,-2.1 -29,-0.0 4,-0.8 -0.728 76.7-169.2-133.2 86.6 59.0 77.0 33.3 526 169 B P G >4 S+ 0 0 19 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.760 81.5 59.9 -55.8 -34.6 60.7 75.7 36.4 527 170 B E G 34 S+ 0 0 151 1,-0.2 4,-0.3 2,-0.2 -2,-0.0 0.778 107.0 47.7 -59.7 -31.4 64.1 77.4 35.6 528 171 B K G <> S+ 0 0 124 -3,-2.1 4,-1.4 1,-0.1 3,-0.3 0.646 92.5 82.9 -82.6 -18.9 62.4 80.8 35.6 529 172 B D H S+ 0 0 20 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.936 109.4 43.3 -54.3 -46.9 63.3 81.2 41.4 531 174 B E H > S+ 0 0 105 -4,-0.3 4,-2.1 -3,-0.3 -2,-0.2 0.858 113.0 53.1 -65.0 -35.7 63.5 84.7 40.0 532 175 B R H X S+ 0 0 27 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.955 110.8 44.6 -66.7 -44.6 59.7 85.0 39.9 533 176 B V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.861 113.6 51.3 -70.7 -32.9 59.1 84.0 43.6 534 177 B R H X S+ 0 0 130 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.894 109.9 49.6 -67.0 -42.0 62.0 86.3 44.7 535 178 B A H X S+ 0 0 13 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.916 111.8 48.3 -61.0 -47.1 60.4 89.2 42.7 536 179 B A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.945 113.1 47.7 -57.3 -49.6 57.0 88.5 44.3 537 180 B R H X S+ 0 0 27 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.891 110.7 51.3 -63.8 -39.5 58.6 88.3 47.8 538 181 B E H < S+ 0 0 153 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.937 110.4 49.9 -65.1 -38.9 60.6 91.6 47.2 539 182 B A H < S+ 0 0 45 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.816 119.8 34.2 -65.7 -36.1 57.4 93.4 46.1 540 183 B I H < S- 0 0 17 -4,-1.9 3,-0.3 1,-0.1 -1,-0.2 0.713 98.6-146.3 -96.4 -21.8 55.3 92.4 49.1 541 184 B G >< - 0 0 24 -4,-2.4 3,-0.8 -5,-0.2 -1,-0.1 -0.191 38.6 -56.1 80.0-176.0 57.9 92.3 51.9 542 185 B E T 3 S+ 0 0 162 1,-0.2 -1,-0.2 -4,-0.1 -4,-0.0 0.611 121.8 65.7 -78.0 -14.0 58.1 90.0 54.9 543 186 B S T 3 S+ 0 0 109 -3,-0.3 2,-0.4 2,-0.1 -1,-0.2 0.443 85.9 78.3 -94.9 3.5 54.7 90.6 56.4 544 187 B V S < S- 0 0 11 -3,-0.8 2,-0.3 -7,-0.1 -27,-0.2 -0.887 82.9-115.2-114.0 139.6 52.5 89.2 53.7 545 188 B E E -y 517 0L 63 -29,-3.6 -27,-2.8 -2,-0.4 2,-0.6 -0.568 25.1-152.2 -75.5 133.7 51.9 85.5 53.2 546 189 B L E +y 518 0L 0 25,-0.4 27,-2.1 -2,-0.3 28,-0.6 -0.915 17.7 179.1-110.4 121.0 53.2 84.1 49.9 547 190 B M E -yz 519 574L 0 -29,-2.6 -27,-1.9 -2,-0.6 2,-0.3 -0.841 8.7-157.7-121.4 148.5 51.4 81.1 48.5 548 191 B V E -yz 520 575L 0 26,-2.1 28,-2.6 -2,-0.3 2,-0.4 -0.957 7.7-159.6-132.0 157.1 52.0 79.1 45.2 549 192 B D E -yz 521 576L 0 -29,-1.5 -27,-2.5 -2,-0.3 -167,-0.3 -0.998 6.8-175.7-133.7 123.7 50.0 76.8 43.0 550 193 B A > - 0 0 0 26,-2.8 3,-1.4 -2,-0.4 27,-0.2 0.537 29.5-142.3 -95.8 -7.8 51.7 74.4 40.6 551 194 B N T 3 - 0 0 4 25,-0.5 26,-0.1 1,-0.2 29,-0.1 0.867 69.3 -54.2 41.3 45.4 48.4 73.2 39.0 552 195 B G T 3 S+ 0 0 16 25,-2.7 28,-0.3 24,-0.3 -1,-0.2 0.617 101.2 134.0 78.7 14.9 49.7 69.6 38.7 553 196 B A < + 0 0 28 -3,-1.4 2,-0.2 24,-0.4 26,-0.2 0.649 48.8 71.4 -74.9 -21.1 52.9 70.5 36.9 554 197 B Y B -e 579 0M 9 24,-1.5 26,-0.6 23,-0.3 2,-0.2 -0.643 69.9-129.2-104.6 157.3 55.4 68.5 38.8 555 198 B T > - 0 0 64 -2,-0.2 4,-3.2 24,-0.1 5,-0.2 -0.495 46.9 -95.9 -80.2 169.3 56.4 64.8 39.2 556 199 B R H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.906 123.0 40.1 -55.7 -52.2 56.7 63.7 42.8 557 200 B K H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 400,-1.7 0.814 116.2 52.0 -71.4 -27.7 60.5 64.1 43.3 558 201 B Q H > S+ 0 0 60 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.954 109.6 49.6 -70.3 -48.3 60.4 67.4 41.4 559 202 B A H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.900 110.0 52.3 -50.0 -45.3 57.6 68.6 43.6 560 203 B L H X S+ 0 0 14 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.910 108.8 48.9 -64.9 -41.1 59.6 67.6 46.6 561 204 B Y H X S+ 0 0 92 -4,-2.0 4,-2.4 1,-0.2 3,-0.2 0.972 113.9 47.0 -57.6 -52.0 62.6 69.6 45.3 562 205 B W H X S+ 0 0 24 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.796 103.3 59.2 -65.6 -34.2 60.5 72.7 44.7 563 206 B A H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.959 113.0 41.2 -58.8 -48.0 58.7 72.7 48.0 564 207 B G H X S+ 0 0 13 -4,-1.3 4,-2.4 -3,-0.2 -2,-0.2 0.927 116.4 48.4 -60.8 -49.6 62.2 73.0 49.7 565 208 B A H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.924 111.7 47.9 -60.1 -53.0 63.6 75.5 47.2 566 209 B F H X>S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 6,-0.9 0.875 111.1 52.3 -57.8 -42.0 60.6 77.9 47.3 567 210 B A H X5S+ 0 0 29 -4,-1.7 4,-1.7 -5,-0.3 -2,-0.2 0.963 116.0 39.7 -56.8 -52.9 60.7 77.8 51.1 568 211 B R H <5S+ 0 0 179 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.870 120.4 45.8 -61.1 -42.3 64.4 78.7 51.1 569 212 B E H <5S- 0 0 49 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.908 137.9 -2.4 -73.4 -42.6 64.1 81.2 48.2 570 213 B A H <5S- 0 0 6 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.251 90.9-112.3-141.2 7.4 61.0 83.2 49.2 571 214 B G << - 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0 0 19 -5,-3.2 230,-3.7 -6,-0.2 -1,-0.2 -0.875 66.7-108.2-116.4 149.4 54.0 51.1 7.6 835 118 C P B >> -k 1064 0Q 8 0, 0.0 3,-1.8 0, 0.0 4,-1.1 -0.491 43.7-114.5 -56.2 139.0 56.8 52.3 9.8 836 119 C L H >> S+ 0 0 0 228,-2.7 3,-1.7 1,-0.3 4,-0.8 0.901 115.8 58.3 -53.5 -48.2 56.5 50.2 13.0 837 120 C A H 34 S+ 0 0 1 227,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.762 106.8 49.4 -49.9 -32.0 55.6 53.3 15.1 838 121 C D H <4 S+ 0 0 18 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.656 104.7 57.7 -80.7 -19.3 52.6 53.9 12.7 839 122 C A H << S+ 0 0 6 -3,-1.7 -2,-0.2 -4,-1.1 -1,-0.2 0.548 104.8 63.7 -84.7 -11.5 51.4 50.3 13.0 840 123 C L S < S- 0 0 1 -4,-0.8 -720,-0.1 -3,-0.2 2,-0.1 -0.778 109.5 -84.0-103.4 156.3 51.2 50.8 16.8 841 124 C P - 0 0 8 0, 0.0 2,-0.5 0, 0.0 -769,-0.1 -0.442 60.8-148.2 -50.5 129.7 48.9 53.1 18.7 842 125 C R + 0 0 26 -771,-0.2 -767,-1.1 1,-0.1 182,-0.3 -0.931 39.7 158.6-121.4 123.1 51.1 56.2 18.5 843 126 C F + 0 0 21 180,-3.6 2,-0.4 -2,-0.5 181,-0.2 0.730 66.1 53.3-100.1 -33.7 51.5 59.0 21.0 844 127 C H - 0 0 48 179,-1.7 -1,-0.2 1,-0.2 3,-0.1 -0.901 53.4-158.7-120.1 136.7 54.8 60.5 20.0 845 128 C A S S- 0 0 62 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.928 90.4 -2.8 -70.2 -49.1 56.2 61.8 16.8 846 129 C E S S- 0 0 72 211,-0.2 211,-0.2 176,-0.1 -1,-0.2 -0.867 75.1-126.2-134.9 174.3 59.7 61.4 18.2 847 130 C V E -L 1056 0R 0 209,-2.5 209,-2.6 -2,-0.3 2,-0.1 -0.976 16.4-123.4-132.8 135.7 61.3 60.2 21.5 848 131 C P E -L 1055 0R 38 0, 0.0 183,-2.1 0, 0.0 2,-0.3 -0.383 31.3-168.6 -78.4 151.5 63.8 61.8 23.9 849 132 C V E -m 1031 0S 0 205,-2.6 2,-0.4 181,-0.2 28,-0.2 -0.845 16.5-144.6-132.6 160.9 66.9 59.8 24.7 850 133 C Y E -m 1032 0S 0 181,-1.9 183,-3.2 -2,-0.3 2,-0.5 -0.990 27.9-117.7-126.3 144.5 69.7 60.0 27.2 851 134 C G E -mn1033 878S 0 26,-1.9 28,-2.5 -2,-0.4 2,-0.5 -0.679 36.3-161.4 -79.3 127.2 73.2 58.9 26.3 852 135 C S E +mn1034 879S 0 181,-2.0 183,-2.9 -2,-0.5 28,-0.2 -0.922 41.1 79.4-121.9 120.6 74.1 56.0 28.6 853 136 C G + 0 0 0 26,-2.4 28,-0.2 -2,-0.5 10,-0.1 -0.526 16.4 143.5-167.6-116.1 77.6 54.7 29.4 854 137 C G - 0 0 0 26,-0.2 27,-2.2 -2,-0.2 -1,-0.1 0.865 42.0-161.0 60.0 45.5 80.2 56.0 31.8 855 138 C F > - 0 0 0 25,-0.2 3,-1.9 1,-0.1 -114,-0.2 -0.162 26.8-118.4 -61.6 147.4 81.4 52.5 32.8 856 139 C T T 3 S+ 0 0 22 -116,-1.4 -115,-0.1 1,-0.3 -1,-0.1 0.505 110.1 65.7 -68.5 -5.2 83.4 52.2 36.0 857 140 C S T 3 S+ 0 0 37 -117,-0.4 -1,-0.3 -119,-0.1 -2,-0.1 0.437 79.9 103.9 -92.1 -5.5 86.5 50.9 34.0 858 141 C Y S < S- 0 0 7 -3,-1.9 -119,-0.0 -118,-0.2 -121,-0.0 -0.654 72.8-128.9 -82.6 130.0 86.9 54.2 32.3 859 142 C P > - 0 0 67 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.363 39.5 -97.0 -60.6 156.0 89.7 56.5 33.3 860 143 C L H > S+ 0 0 56 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.795 123.8 51.2 -42.7 -43.2 88.4 60.0 34.0 861 144 C R H > S+ 0 0 58 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.933 111.3 46.9 -68.7 -49.1 89.4 61.3 30.5 862 145 C R H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.898 114.3 50.1 -51.2 -42.8 87.6 58.5 28.7 863 146 C L H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.972 112.6 44.3 -63.3 -53.6 84.7 59.2 31.0 864 147 C Q H X S+ 0 0 53 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.867 111.0 55.1 -60.4 -39.7 84.6 62.9 30.3 865 148 C E H X S+ 0 0 148 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.913 108.8 46.0 -61.2 -48.9 85.0 62.5 26.6 866 149 C Q H X S+ 0 0 31 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.904 119.2 39.4 -60.5 -43.9 82.0 60.1 26.1 867 150 C L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.936 116.4 50.1 -79.1 -45.3 79.6 62.2 28.2 868 151 C G H X S+ 0 0 16 -4,-2.6 4,-3.3 -5,-0.2 -1,-0.2 0.853 108.1 55.0 -56.0 -39.7 80.9 65.5 26.9 869 152 C G H X S+ 0 0 42 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.2 0.903 107.9 48.5 -62.8 -39.8 80.5 64.2 23.4 870 153 C W H <>S+ 0 0 32 -4,-1.5 5,-2.2 2,-0.2 3,-0.3 0.932 113.3 48.1 -63.8 -45.2 76.9 63.3 24.1 871 154 C A H ><5S+ 0 0 22 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.931 110.5 49.8 -59.0 -48.8 76.3 66.8 25.5 872 155 C A H 3<5S+ 0 0 89 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.714 103.3 62.1 -67.8 -18.6 78.1 68.5 22.5 873 156 C A T 3<5S- 0 0 28 -4,-1.3 180,-2.9 -3,-0.3 -1,-0.3 0.282 126.4-101.5 -84.4 10.9 75.8 66.5 20.2 874 157 C G T < 5S+ 0 0 35 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.2 0.686 78.5 138.8 78.2 16.1 72.8 68.2 21.8 875 158 C I < - 0 0 2 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.870 34.7-166.6 -92.4 112.9 71.8 65.3 24.1 876 159 C P + 0 0 47 0, 0.0 29,-3.1 0, 0.0 2,-0.4 0.299 64.4 56.2 -90.3 11.1 70.9 67.1 27.3 877 160 C R E + o 0 905S 51 27,-0.2 -26,-1.9 -28,-0.2 2,-0.3 -0.995 59.7 175.1-143.4 134.6 70.8 64.0 29.6 878 161 C V E -no 851 906S 0 27,-2.0 29,-3.1 -2,-0.4 2,-0.4 -0.996 14.9-150.9-142.4 147.1 73.5 61.4 30.3 879 162 C K E -no 852 907S 0 -28,-2.5 -26,-2.4 -2,-0.3 2,-0.3 -0.925 13.3-179.5-118.8 139.4 73.9 58.5 32.6 880 163 C M E - o 0 908S 0 27,-1.9 29,-2.2 -2,-0.4 2,-0.3 -0.845 29.5-104.4-124.8 171.5 77.1 57.0 34.1 881 164 C K E + o 0 909S 6 -27,-2.2 2,-0.3 -2,-0.3 29,-0.2 -0.761 37.8 172.7 -96.7 141.1 77.9 54.0 36.4 882 165 C V + 0 0 0 27,-2.9 -140,-0.4 -2,-0.3 31,-0.2 -0.867 45.1 55.2-134.1 167.1 78.7 54.4 40.1 883 166 C G + 0 0 8 -2,-0.3 27,-0.1 2,-0.1 4,-0.1 0.239 69.5 101.6 101.2 -10.4 79.3 52.1 43.1 884 167 C R S S+ 0 0 78 1,-0.3 -2,-0.1 2,-0.1 -143,-0.0 0.923 106.6 10.3 -73.4 -42.2 82.0 49.7 41.9 885 168 C E S >> S- 0 0 116 1,-0.1 3,-3.0 -29,-0.0 4,-0.6 -0.689 78.5-171.2-131.6 78.2 84.7 51.6 43.9 886 169 C P G >4 S+ 0 0 36 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.775 80.1 61.3 -48.2 -43.7 82.7 54.0 46.1 887 170 C E G 34 S+ 0 0 150 1,-0.2 4,-0.3 2,-0.2 0, 0.0 0.739 106.1 47.6 -44.0 -35.2 85.8 56.0 47.3 888 171 C K G <> S+ 0 0 90 -3,-3.0 4,-1.6 1,-0.1 3,-0.3 0.644 91.3 82.7 -88.0 -15.6 86.6 57.0 43.7 889 172 C D H S+ 0 0 20 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.941 110.9 42.1 -51.0 -46.2 83.1 61.7 44.2 891 174 C E H > S+ 0 0 111 -3,-0.3 4,-2.6 -4,-0.3 -2,-0.2 0.883 115.0 51.7 -67.6 -37.0 86.0 62.6 41.8 892 175 C R H X S+ 0 0 25 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.917 111.8 44.2 -65.7 -45.7 84.3 60.7 38.9 893 176 C V H X S+ 0 0 0 -4,-3.2 4,-1.9 2,-0.2 -2,-0.2 0.862 114.7 50.2 -69.6 -33.8 80.9 62.5 39.3 894 177 C R H X S+ 0 0 136 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.896 110.8 50.2 -67.3 -39.9 82.7 65.9 39.7 895 178 C A H X S+ 0 0 12 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.916 110.7 49.2 -63.2 -42.6 84.7 65.0 36.5 896 179 C A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.877 110.7 49.5 -64.4 -38.6 81.5 64.2 34.6 897 180 C R H X S+ 0 0 26 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.922 109.0 52.8 -69.2 -43.4 79.7 67.4 35.7 898 181 C E H < S+ 0 0 145 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.903 109.7 50.4 -50.9 -46.8 82.8 69.5 34.6 899 182 C A H < S+ 0 0 33 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.803 120.3 31.6 -64.8 -36.1 82.6 67.8 31.2 900 183 C I H < S- 0 0 16 -4,-1.5 3,-0.3 -3,-0.2 4,-0.2 0.673 99.9-141.5-100.7 -21.9 78.9 68.4 30.5 901 184 C G >< - 0 0 29 -4,-2.5 3,-0.8 -5,-0.2 -1,-0.1 -0.154 38.1 -57.8 82.4-177.5 78.3 71.7 32.3 902 185 C E T 3 S+ 0 0 164 1,-0.2 -1,-0.2 -4,-0.1 -4,-0.1 0.621 123.8 59.3 -84.1 -11.2 75.4 72.9 34.3 903 186 C S T 3 S+ 0 0 112 -3,-0.3 2,-0.5 2,-0.1 -1,-0.2 0.580 86.1 87.5 -94.0 -9.5 72.6 72.6 31.8 904 187 C V S < S- 0 0 11 -3,-0.8 -27,-0.2 -4,-0.2 2,-0.2 -0.779 81.2-122.6 -94.0 130.1 73.0 68.8 31.1 905 188 C E E -o 877 0S 63 -29,-3.1 -27,-2.0 -2,-0.5 2,-0.6 -0.484 23.3-148.5 -68.2 130.3 71.1 66.5 33.4 906 189 C L E -o 878 0S 0 25,-0.4 27,-1.9 -2,-0.2 28,-0.6 -0.940 17.7-177.1-109.6 117.6 73.5 64.0 35.2 907 190 C M E -op 879 934S 0 -29,-3.1 -27,-1.9 -2,-0.6 2,-0.3 -0.806 7.4-156.2-110.1 146.0 72.0 60.5 35.9 908 191 C V E -op 880 935S 0 26,-2.6 28,-3.0 -2,-0.3 2,-0.4 -0.953 6.1-159.0-128.0 152.4 73.7 57.6 37.8 909 192 C D E -op 881 936S 0 -29,-2.2 -27,-2.9 -2,-0.3 -167,-0.2 -0.995 9.0-178.7-130.1 127.2 73.3 53.9 37.8 910 193 C A > - 0 0 0 26,-2.5 3,-2.0 -2,-0.4 27,-0.2 0.403 30.0-141.8-105.7 -6.1 74.5 51.7 40.7 911 194 C N T 3 S- 0 0 9 25,-0.4 26,-0.1 1,-0.3 29,-0.1 0.841 71.5 -54.1 46.5 36.0 73.4 48.4 39.2 912 195 C G T 3 S+ 0 0 22 25,-2.9 28,-0.3 24,-0.3 -1,-0.3 0.671 99.6 137.8 78.1 22.8 72.4 47.2 42.6 913 196 C A < + 0 0 26 -3,-2.0 2,-0.3 24,-0.3 26,-0.2 0.663 47.7 72.6 -76.1 -22.6 75.8 47.9 44.2 914 197 C Y - 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